N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide

C22H32N2O3 — CID 17053659

IUPACN-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCCOCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C22H32N2O3/c1-5-26-14-8-13-23-15-19-18-10-7-6-9-17(18)11-12-20(19)27-16-21(25)24-22(2,3)4/h6-7,9-12,23H,5,8,13-16H2,1-4H3,(H,24,25)
InChIKeyPSDTZHQDNTWCOR-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.65
Rot. Bonds10

About N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide

N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 17053659) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
PubChem CID17053659
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCCOCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C22H32N2O3/c1-5-26-14-8-13-23-15-19-18-10-7-6-9-17(18)11-12-20(19)27-16-21(25)24-22(2,3)4/h6-7,9-12,23H,5,8,13-16H2,1-4H3,(H,24,25)
InChIKeyPSDTZHQDNTWCOR-UHFFFAOYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053725
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053671
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053670
N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053687
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
N-tert-butyl-2-[1-[(prop-2-enylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053679
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053675
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053734
N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053727
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide (CID 17053659) is N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide is CCOCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is PSDTZHQDNTWCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-26-14-8-13-23-15-19-18-10-7-6-9-17(18)11-12-20(19)27-16-21(25)24-22(2,3)4/h6-7,9-12,23H,5,8,13-16H2,1-4H3,(H,24,25).
What are the key properties of N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 372.51 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 17053659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).